3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid

C11H21N3O5 — CID 113410923

IUPAC3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid
SMILESCC(C)CNC(=O)CCNC(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-7(2)5-13-9(16)3-4-12-11(19)14-8(6-15)10(17)18/h7-8,15H,3-6H2,1-2H3,(H,13,16)(H,17,18)(H2,12,14,19)
InChIKeyDDGLYRIOQANVCG-UHFFFAOYSA-N
MW275.31 g/mol
LogP-1.11
Rot. Bonds8

About 3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid

3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid (PubChem CID 113410923) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid
PubChem CID113410923
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid
SMILESCC(C)CNC(=O)CCNC(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-7(2)5-13-9(16)3-4-12-11(19)14-8(6-15)10(17)18/h7-8,15H,3-6H2,1-2H3,(H,13,16)(H,17,18)(H2,12,14,19)
InChIKeyDDGLYRIOQANVCG-UHFFFAOYSA-N
XLogP-1.11
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-1.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-hydroxy-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 61185829
3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid
CID 61206300
2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid
CID 114898951
(2S)-2-hydroxy-4-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107840936
3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid
CID 61202621
(2S)-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]butanoic acid
CID 103995647
(2S)-3-hydroxy-2-(4-methylpentanoylamino)propanoic acid
CID 28778534
2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 16790600
(2R)-3-hydroxy-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 80756456
(2S)-4-hydroxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107827283
(2R)-2-[3-(dimethylamino)propylcarbamoylamino]-3-hydroxypropanoic acid
CID 80757649
(2S)-2-[3-(dimethylamino)propylcarbamoylamino]-3-hydroxypropanoic acid
CID 61190739

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid (CID 113410923) is 3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid is CC(C)CNC(=O)CCNC(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid?
The InChIKey is DDGLYRIOQANVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-7(2)5-13-9(16)3-4-12-11(19)14-8(6-15)10(17)18/h7-8,15H,3-6H2,1-2H3,(H,13,16)(H,17,18)(H2,12,14,19).
What are the key properties of 3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid?
3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid has a molecular weight of 275.31 g/mol, XLogP of -1.11, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 113410923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).